Geometry & MOs

Info

ID:	369250
PubChem CID:	127331615
Reduced:	NSO2C15H19 (1)
Stoich.:	ABC2D15E19 (1)
Weight, g/mol:	376.145678
ΔH_f, kcal/mol:	-70.41
Dipole, Da:	3.03
IP(EA), eV:	-8.77(-0.46)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[1-(1,3-benzodioxole-5-carbonyl)pyrrolidin-2-yl]-(2,3-dimethylthiomorpholin-4-yl)methanone

Drug info:

PubChemData

Smile

CC1C(SCCN1C(=O)C2=CC3=C(COC3)C=C2)C

DOS

IR

Vibrations